1-(3-chloro-2-methylphenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine

C15H18ClNO2 — CID 107096640

IUPAC1-(3-chloro-2-methylphenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
SMILESCNC(c1ccc(COC)o1)c1cccc(Cl)c1C
InChIInChI=1S/C15H18ClNO2/c1-10-12(5-4-6-13(10)16)15(17-2)14-8-7-11(19-14)9-18-3/h4-8,15,17H,9H2,1-3H3
InChIKeyGYVQZUTZQDUPEW-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.70
Rot. Bonds5

About 1-(3-chloro-2-methylphenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine

1-(3-chloro-2-methylphenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine (PubChem CID 107096640) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
PubChem CID107096640
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name1-(3-chloro-2-methylphenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
SMILESCNC(c1ccc(COC)o1)c1cccc(Cl)c1C
InChIInChI=1S/C15H18ClNO2/c1-10-12(5-4-6-13(10)16)15(17-2)14-8-7-11(19-14)9-18-3/h4-8,15,17H,9H2,1-3H3
InChIKeyGYVQZUTZQDUPEW-UHFFFAOYSA-N
XLogP3.70
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
CID 107096586
1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 107096626
1-(3-bromo-4-chlorophenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
CID 107998926
1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
CID 107103108
1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 107096375
1-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 62346399
1-(3-chloro-2-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 107103127
N-[(3-chloro-2-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 107102020
1-[5-(methoxymethyl)furan-2-yl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 113461762
1-(4-chloro-2,5-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 79094310
(1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
CID 96656380
(2-chloro-3-fluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine
CID 113461711

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine (CID 107096640) is 1-(3-chloro-2-methylphenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine is CNC(c1ccc(COC)o1)c1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine?
The InChIKey is GYVQZUTZQDUPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-10-12(5-4-6-13(10)16)15(17-2)14-8-7-11(19-14)9-18-3/h4-8,15,17H,9H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine?
1-(3-chloro-2-methylphenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine has a molecular weight of 279.77 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107096640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).